SCHEMBL4694497

SCHEMBL4694497

CCC(=O)N1C2CCC1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NR1H2 P55055 1/20 0.40
USP30 Q70CQ3 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2935196 0.95 HPGD (0.44) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL17128208 0.91 NR1H2 (0.48) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL20587386 0.84 PREP (0.48) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL31209483 0.78 HPGD (0.48) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL5041372 0.78 HPGD (0.48) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL16707781 0.77 JAK2 (0.53) JAK2JAK1USP30SMN1; SMN2GPR119
SCHEMBL31208756 0.75 HPGD (0.46) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL31209310 0.75 ACHE (0.44) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL31209177 0.75 ACHE (0.44) HPGDMEN1ALDH1A1KMT2AMAPT
SCHEMBL14196264 0.75 HPGD (0.51) PREPHPGDMEN1ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358243-B2 Diazabicyclonane and-decane derivatives and their use as opioid receptor ligands NEUROSEARCH A/S (DK) 2008-04-15 US disclosed
EP-1527075-B1 DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2008-03-26 EP disclosed
US-20050239773-A1 Diazabicyclonane and-decane derivatives and their use as opioid receptor ligands ANIONA APS (DK) 2005-10-27 US disclosed
EP-1527075-A1 DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-05-04 EP disclosed
WO-2004011468-A1 DIAZABICYCLONONANE AND -DECANE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2004-02-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050239773-A1 Diazabicyclonane and-decane derivatives and their use as opioid receptor ligands OPRM1, OPRD1, OPRK1 PREP 3123/4885CHRM2 391/4885CHRM1 239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.